4-methyl-N-(pyren-1-ylmethyl)benzenesulfonamide | 1029348-14-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4-methyl-N-(pyren-1-ylmethyl)benzenesulfonamide
• CAS: 1029348-14-8
• 化学式: C₂₄H₁₉NO₂S
• 分子量: 385.486
• InChiKey: ITRMQDQBYQUXMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-methyl-N-(pyren-1-ylmethyl)benzenesulfonamide 、 1-碘代丙烷 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以63%的产率得到4-methyl-N-propyl-N-(pyren-1-ylmethyl)benzenesulfonamide
  参考文献：
  名称：

  Cu²⁺-Induced Intermolecular Static Excimer Formation of Pyrenealkylamine

  摘要：

  Synthesis of monopyrenylalkylamine derivative 1 and its fluorescence behavior for Cu2+ in H2O/CH3CN (1:1, v/v) were investigated. Upon Cu2+ binding, 1, bearing a sulfonamide group, exhibited a marked excimer emission at 455 nm along with a weak monomer emission at 375 nm. The excimer emission, driven by formation of an intermolecular pyrenyl static excimer upon Cu2+ binding to the sulfonamide group, is rationalized by experimental and theoretical DFT calculation results.

  DOI：

  10.1021/ol800475d
• 作为产物：
  描述：

  1-芘甲胺 盐酸盐 、 对甲苯磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以64%的产率得到4-methyl-N-(pyren-1-ylmethyl)benzenesulfonamide
  参考文献：
  名称：

  Cu²⁺-Induced Intermolecular Static Excimer Formation of Pyrenealkylamine

  摘要：

  Synthesis of monopyrenylalkylamine derivative 1 and its fluorescence behavior for Cu2+ in H2O/CH3CN (1:1, v/v) were investigated. Upon Cu2+ binding, 1, bearing a sulfonamide group, exhibited a marked excimer emission at 455 nm along with a weak monomer emission at 375 nm. The excimer emission, driven by formation of an intermolecular pyrenyl static excimer upon Cu2+ binding to the sulfonamide group, is rationalized by experimental and theoretical DFT calculation results.

  DOI：

  10.1021/ol800475d

文献信息

• Cu²⁺-Induced Intermolecular <i>Static</i> Excimer Formation of Pyrenealkylamine
  作者：Hyun Jung Kim、Jooyeon Hong、Areum Hong、Sihyun Ham、Joung Hae Lee、Jong Seung Kim

  DOI：10.1021/ol800475d

  日期：2008.5.1

  Synthesis of monopyrenylalkylamine derivative 1 and its fluorescence behavior for Cu2+ in H2O/CH3CN (1:1, v/v) were investigated. Upon Cu2+ binding, 1, bearing a sulfonamide group, exhibited a marked excimer emission at 455 nm along with a weak monomer emission at 375 nm. The excimer emission, driven by formation of an intermolecular pyrenyl static excimer upon Cu2+ binding to the sulfonamide group, is rationalized by experimental and theoretical DFT calculation results.